Vitas-M small molecule compound
1-benzyl-5-(4-ethoxybenzyl)-5-{[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL525381
SMILES CCOc1ccc(cc1)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)Cc1ccccc1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C32H34N4O5 MW 554.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34N4O5/c1-2-41-26-13-11-22(12-14-26)16-32(29(38)33-31(40)36(30(32)39)18-23-7-4-3-5-8-23)21-34-17-24-15-25(20-34)27-9-6-10-28(37)35(27)19-24/h3-14,24-25H,2,15-21H2,1H3,(H,33,38,40)/t24-,25+,32?/m0/s1InChIKey
PBHSUTVOMCBMSY-WKQDPDEYSA-NSynonyms
1benzyl5(4ethoxybenzyl)5(((1R5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)pyrimidine246(1H3H5H)trione
1benzyl5(4ethoxybenzyl)5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)pyrimidine246(1H3H5H)trione
CCOc1ccc(cc1)CC1(CN2C(C@H)3C(C@H)(C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)Cc1ccccc1
InChI=1SC32H34N4O5c124126131122(121426)1632(29(38)3331(40)36(30(32)39)18237435823)213417241525(2034)27961028(37)35(27)1924h3142425H21521H21H3(H333840)t2425+32?m0s1
MFCD02924780
ZINC000002101963
ZINC000100744572
Check stock
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